%chk=000236952.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236952

0 1
I 6.203484 -0.844059 -1.889293
S 0.013490 1.209162 0.832052
O -1.304784 -0.426089 -1.577171
O -0.806085 -1.725126 0.179732
O -5.195040 0.117757 0.268037
N -3.197453 0.947496 -0.441680
C -2.432735 0.100724 0.487404
C -1.652261 0.943273 1.502097
C 1.048797 0.042019 1.781795
C 2.256019 -0.158566 0.927503
C -1.424684 -0.783396 -0.261013
C 3.334539 0.737807 0.996118
C 2.313311 -1.251553 0.045835
C -4.598879 0.841310 -0.509355
C 4.462087 0.543647 0.191438
C 3.439508 -1.449941 -0.756482
C 4.499043 -0.547928 -0.672964
C -5.244767 1.694591 -1.558582
H -3.157672 -0.586747 1.030997
H -1.628080 0.457400 2.494417
H -2.129936 1.933232 1.659606
H 0.502962 -0.912306 1.954285
H 1.291501 0.463703 2.774567
H -2.656044 1.465165 -1.132178
H 3.297316 1.591149 1.672609
H 1.469652 -1.947629 -0.011346
H 5.296652 1.244595 0.247886
H 3.480751 -2.303676 -1.435006
H -6.342474 1.596792 -1.498467
H -5.010617 2.761325 -1.440634
H -4.952572 1.396806 -2.575467
H -0.622328 -0.969339 -2.060042


%chk=000236952-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000236952

0 1
I 6.200305 -0.112619 -2.175132
S -0.232188 1.269966 1.165249
O -2.322249 -1.686284 -1.254317
O -1.146917 -2.126813 0.692313
O -5.258299 0.615450 -0.108579
N -2.968732 0.825231 -0.428174
C -2.647734 -0.153235 0.607439
C -1.845605 0.465599 1.770345
C 1.068856 -0.005079 1.806980
C 2.265529 -0.031135 0.890712
C -1.942866 -1.398876 0.053683
C 3.320554 0.904468 1.041332
C 2.355353 -0.993292 -0.148537
C -4.286517 1.142838 -0.732220
C 4.438445 0.891357 0.176797
C 3.468172 -1.025988 -1.017642
C 4.500812 -0.077010 -0.848524
C -4.479326 2.156408 -1.851315
H -3.639007 -0.491406 0.989292
H -1.585140 -0.296027 2.522126
H -2.440082 1.262108 2.243857
H 0.548021 -0.974226 1.826535
H 1.333318 0.313269 2.827724
H -2.192123 1.249876 -0.939625
H 3.272483 1.655020 1.839124
H 1.551222 -1.728237 -0.271490
H 5.243209 1.620646 0.305433
H 3.527744 -1.780085 -1.807744
H -5.120793 2.977284 -1.488919
H -3.532466 2.578088 -2.229348
H -5.011436 1.670066 -2.687390
H -1.889844 -2.535762 -1.543285


